Monomers
N-Allylstearamide
Identifiers
IUPAC name
N-prop-2-enyloctadecanamide
InchI
InChI=1S/C21H41NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(23)22-20-4-2/h4H,2-3,5-20H2,1H3,(H,22,23)
InchI Key
HKKGHYAJDLYYNC-UHFFFAOYSA-N
SMILES
CCCCCCCCCCCCCCCCCC(=O)NCC=C
Canonical SMILES
CCCCCCCCCCCCCCCCCC(=O)NCC=C
Isomeric SMILES
CCCCCCCCCCCCCCCCCC(=O)NCC=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C21H41NO
Heavy Atom Count
23
Molecular Weight
323.565
Exact Molecular Weight
323.3188
Valence Electrons
136
Radical Electrons
0
tPSA
29.1
MolLogP
6.5501
H Bond Acceptors
1
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
64 63 0 0 0 0 0 0 0 0999 V2000
-7.2866 3.1329 -0.3521 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1664 2.1154 -0.0923 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7816 0.9869 0.6659 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8082 -0.1070 1.0166 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2337 -0.6768 -0.2413 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2479 -1.7942 0.0324 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0847 -1.3370 0.8633 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2916 -0.2439 0.2332 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6911 -0.6184 -1.1075 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7631 -1.7952 -0.9580 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1880 -2.1592 -2.2989 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5933 -1.0529 -2.9266 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7474 -0.6633 -2.0032 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6742 -1.7895 -1.7428 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8058 -1.3450 -0.8532 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2649 -0.8676 0.4680 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3645 -0.4329 1.4050 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1620 0.6882 0.8956 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9655 1.2931 -0.1756 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2793 1.1594 1.6755 N 0 0 0 0 0 0 0 0 0 0 0 0
7.0717 2.2510 1.1997 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1542 2.5397 2.1834 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4225 2.4694 1.8712 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6063 3.5040 0.6518 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1189 2.6284 -0.8456 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8366 3.9565 -0.9139 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8819 1.7704 -1.1277 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3273 2.5646 0.4401 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2967 1.3842 1.5793 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6147 0.5466 0.0493 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4169 -0.9044 1.5349 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0375 0.2865 1.7109 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0662 -1.1136 -0.8297 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7795 0.1164 -0.8703 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7827 -2.5751 0.6157 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8942 -2.2716 -0.8959 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4294 -2.2026 1.0431 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4248 -0.9799 1.8586 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8409 0.7006 0.1097 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4314 -0.0209 0.9043 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4168 -0.7376 -1.9076 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0463 0.2698 -1.3779 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0520 -1.5974 -0.2346 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2992 -2.6973 -0.5724 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4517 -3.0732 -2.1494 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0611 -2.4713 -2.9306 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0219 -1.3481 -3.9149 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0281 -0.1459 -3.0461 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2800 -0.2484 -1.1143 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2428 0.2033 -2.5248 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0284 -2.3075 -2.6532 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1192 -2.5679 -1.1380 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5153 -2.1797 -0.6423 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4146 -0.5708 -1.3713 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6814 -1.6540 0.9887 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5517 -0.0002 0.3575 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0755 -1.2999 1.5192 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9761 -0.2616 2.4319 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4866 0.6925 2.5731 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5502 2.0090 0.2398 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4574 3.1575 1.1071 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8803 2.8200 3.2010 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6873 2.1847 0.8381 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2025 2.6809 2.5920 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
8 9 1 0
9 10 1 0
10 11 1 0
11 12 1 0
12 13 1 0
13 14 1 0
14 15 1 0
15 16 1 0
16 17 1 0
17 18 1 0
18 19 2 0
18 20 1 0
20 21 1 0
21 22 1 0
22 23 2 3
1 24 1 0
1 25 1 0
1 26 1 0
2 27 1 0
2 28 1 0
3 29 1 0
3 30 1 0
4 31 1 0
4 32 1 0
5 33 1 0
5 34 1 0
6 35 1 0
6 36 1 0
7 37 1 0
7 38 1 0
8 39 1 0
8 40 1 0
9 41 1 0
9 42 1 0
10 43 1 0
10 44 1 0
11 45 1 0
11 46 1 0
12 47 1 0
12 48 1 0
13 49 1 0
13 50 1 0
14 51 1 0
14 52 1 0
15 53 1 0
15 54 1 0
16 55 1 0
16 56 1 0
17 57 1 0
17 58 1 0
20 59 1 0
21 60 1 0
21 61 1 0
22 62 1 0
23 63 1 0
23 64 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers